Computational Organic Chemistry, 2nd edition (repost)
Computational Organic Chemistry, 2nd edition
by Steven M. Bachrach
English | 2014 | ISBN: 1118291921 | 632 pages | PDF | 10.55 MB
by Steven M. Bachrach
English | 2014 | ISBN: 1118291921 | 632 pages | PDF | 10.55 MB
Building upon and updating the successful first edition, the second edition of Computational Organic Chemistry introduces computational modeling methods used as standard tools by organic chemists for searching, rationalizing, and predicting structure and reactivity of organic molecules.
New coverage includes: significant problems with standard DFT (density functional theory) methods; ways to address these problems; computational organic spectroscopy; computational tools for understanding enzyme mechanisms; and new interviews. The text is particularly valuable to organic, physical organic, synthetic organic, and computational chemists using computational tools.
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